Task 38666763
| Name | test_367-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND3082_0 |
| Workunit | 31609545 |
| Created | 25 Oct 2026, 4:39:47 UTC |
| Sent | 25 Oct 2026, 5:16:35 UTC |
| Report deadline | 30 Oct 2026, 5:16:35 UTC |
| Received | 25 Oct 2026, 11:30:54 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 607579 |
| Run time | 27 min 51 sec |
| CPU time | 25 min 40 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 21,377.06 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 699.43 MB |
| Peak swap size | 9.93 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:37:40 (7216): wrapper (7.9.26016): starting
07:37:40 (7216): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
07:37:41 (7216): Library/usr/bin/tar.exe exited; CPU time 0.015625
07:37:42 (7216): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835481} normal block at 0x0000023F6E0CF170, 8 bytes long.
Data: < n? > 00 00 09 6E 3F 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833966} normal block at 0x0000023F6E1AE5E0, 1080 bytes long.
Data: < > B4 B0 00 00 CD CD CD CD B8 00 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000023F6E0D1550, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
08:18:24 (35620): wrapper (7.9.26016): starting
08:18:24 (35620): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1823} normal block at 0x0000018B373D8750, 8 bytes long.
Data: < 7 > 00 00 8C 37 8B 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x0000018B373D9180, 1080 bytes long.
Data: < > 88 0B 00 00 CD CD CD CD B8 00 00 00 00 00 00 00
Object dump complete.
11:54:43 (43156): wrapper (7.9.26016): starting
11:54:43 (43156): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1823} normal block at 0x0000015257A958A0, 8 bytes long.
Data: < WR > 00 00 E6 57 52 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x0000015257A96B90, 1080 bytes long.
Data: <0M ` > 30 4D 00 00 CD CD CD CD 60 00 00 00 00 00 00 00
Object dump complete.
11:58:19 (50068): wrapper (7.9.26016): starting
11:58:19 (50068): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1823} normal block at 0x000002219A2D65A0, 8 bytes long.
Data: < v ! > 00 00 76 9A 21 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x000002219A2D6CB0, 1080 bytes long.
Data: < H > A4 A2 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
12:27:49 (27928): wrapper (7.9.26016): starting
12:27:49 (27928): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
12:30:30 (27928): C:/Windows/system32/cmd.exe exited; CPU time 137.515625
12:30:30 (27928): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 3513482 bytes.
Dumping objects ->
{1911} normal block at 0x000001EBEF254A90, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1900} normal block at 0x000001EBEF255040, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1889} normal block at 0x000001EBEF254C50, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1878} normal block at 0x000001EBEF254E80, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1867} normal block at 0x000001EBEF254FD0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1836} normal block at 0x000001EBEF249460, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {1823} normal block at 0x000001EBEF255B00, 8 bytes long.
Data: < n > 00 00 6E EF EB 01 00 00
{309} normal block at 0x000001EBEF256410, 8 bytes long.
Data: < l% > B0 6C 25 EF EB 01 00 00
{300} normal block at 0x000001EBEF246980, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x000001EBEF256050, 16 bytes long.
Data: < k% > B8 6B 25 EF EB 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001EBEF256000, 16 bytes long.
Data: < k% > 90 6B 25 EF EB 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001EBEF24E050, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x000001EBEF255F10, 16 bytes long.
Data: <hk% > 68 6B 25 EF EB 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001EBEF256190, 16 bytes long.
Data: <@k% > 40 6B 25 EF EB 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001EBEF2564B0, 16 bytes long.
Data: < k% > 18 6B 25 EF EB 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001EBEF256820, 16 bytes long.
Data: < j% > F0 6A 25 EF EB 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001EBEF254CC0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x000001EBEF255AB0, 16 bytes long.
Data: <X # > 58 F6 23 EF EB 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001EBEF24E110, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x000001EBEF2565A0, 16 bytes long.
Data: <0 # > 30 F6 23 EF EB 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001EBEF255FB0, 16 bytes long.
Data: < # > 08 F6 23 EF EB 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001EBEF255A10, 16 bytes long.
Data: < # > E0 F5 23 EF EB 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001EBEF256550, 16 bytes long.
Data: < # > B8 F5 23 EF EB 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001EBEF255E20, 16 bytes long.
Data: < # > 90 F5 23 EF EB 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001EBEF255DD0, 16 bytes long.
Data: <h # > 68 F5 23 EF EB 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001EBEF24D870, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x000001EBEF255BA0, 16 bytes long.
Data: <@ # > 40 F5 23 EF EB 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001EBEF23F540, 320 bytes long.
Data: < [% p $ > A0 5B 25 EF EB 01 00 00 70 D8 24 EF EB 01 00 00
{279} normal block at 0x000001EBEF2565F0, 16 bytes long.
Data: < j% > D0 6A 25 EF EB 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001EBEF2563C0, 16 bytes long.
Data: < j% > A8 6A 25 EF EB 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001EBEF24D8D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x000001EBEF256690, 16 bytes long.
Data: < j% > 80 6A 25 EF EB 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001EBEF24DC30, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x000001EBEF256230, 16 bytes long.
Data: < i% > C8 69 25 EF EB 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001EBEF255C40, 16 bytes long.
Data: < i% > A0 69 25 EF EB 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001EBEF255B50, 16 bytes long.
Data: <xi% > 78 69 25 EF EB 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001EBEF2562D0, 16 bytes long.
Data: <Pi% > 50 69 25 EF EB 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001EBEF255E70, 16 bytes long.
Data: <(i% > 28 69 25 EF EB 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001EBEF255F60, 16 bytes long.
Data: < i% > 00 69 25 EF EB 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001EBEF256140, 16 bytes long.
Data: < Q% > 20 51 25 EF EB 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001EBEF255120, 40 bytes long.
Data: <@a% ` $ > 40 61 25 EF EB 01 00 00 60 94 24 EF EB 01 00 00
{265} normal block at 0x000001EBEF2559C0, 16 bytes long.
Data: < h% > E0 68 25 EF EB 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001EBEF255970, 16 bytes long.
Data: < h% > B8 68 25 EF EB 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001EBEF24DDB0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x000001EBEF255D80, 16 bytes long.
Data: < h% > 90 68 25 EF EB 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001EBEF256890, 992 bytes long.
Data: < ]% $ > 80 5D 25 EF EB 01 00 00 B0 DD 24 EF EB 01 00 00
{97} normal block at 0x000001EBEF24D9F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x000001EBEF24F170, 16 bytes long.
Data: < $ > 90 EE 24 EF EB 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001EBEF24EE90, 40 bytes long.
Data: <p $ $ > 70 F1 24 EF EB 01 00 00 F0 D9 24 EF EB 01 00 00
{74} normal block at 0x000001EBEF24FBC0, 16 bytes long.
Data: < r > 80 EA 72 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001EBEF24F3A0, 16 bytes long.
Data: <@ r > 40 E9 72 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001EBEF24F620, 16 bytes long.
Data: < Wo > F8 57 6F EA F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001EBEF24F120, 16 bytes long.
Data: < Wo > D8 57 6F EA F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001EBEF24F2B0, 16 bytes long.
Data: <P o > 50 04 6F EA F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001EBEF24F350, 16 bytes long.
Data: <0 o > 30 04 6F EA F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001EBEF24F8A0, 16 bytes long.
Data: < o > E0 02 6F EA F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001EBEF24F080, 16 bytes long.
Data: < o > 10 04 6F EA F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001EBEF24FEE0, 16 bytes long.
Data: <p o > 70 04 6F EA F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001EBEF24FC10, 16 bytes long.
Data: < m > 18 C0 6D EA F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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